Geometry & MOs

Info

ID:

436908

PubChem CID:

135212832

Reduced:

SN3O3C30H35 (1)

Stoich.:

AB3C3D30E35 (1)

Weight, g/mol:

524.282112

ΔHf, kcal/mol:

-15.83

Dipole, Da:

7.97

IP(EA), eV:

 -8.56(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3Z,8R,10S)-9-[4-(2,3-dimethylphenyl)phenyl]-6-(2-propylpyrazolidin-3-yl)sulfonyl-1,6-diazabicyclo[6.2.0]dec-3-en-10-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)C3[C@@H]4CN(C/C=C\CN4[C@@H]3COC)S(=O)(=O)C5=C(N=CC=C5)C)C

DOS

IR

Vibrations